SCHEMBL4640634

SCHEMBL4640634

CCc1cc(C(=O)O)c(C(=O)OC(CC)CCC(C)C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
ALDH1A1 P00352 2/20 0.34
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4640664 1.00 PRKCA (0.36) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4640632 0.95 PRKCA (0.40) PRKCAPRKCDSCN1ASCN2ASCN3A
SCHEMBL4639863 0.92 PRKCA (0.40) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4641009 0.92 PRKCA (0.40) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4640934 0.90 PRKCA (0.47) PRKCAPRKCDALDH1A1PPARGPPARD
SCHEMBL4643120 0.90 PRKCA (0.47) PRKCAPRKCDALDH1A1PPARGPPARD
SCHEMBL4639881 0.89 ALDH1A1 (0.40) PRKCAPRKCDALDH1A1PPARG
SCHEMBL4641007 0.86 PRKCA (0.43) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4639861 0.86 PRKCA (0.43) PRKCAPRKCDALDH1A1SCN1ASCN2A
SCHEMBL4641361 0.86 PRKCA (0.36) PRKCAPRKCDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188739-B1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO LTD (JP) 2008-08-13 EP disclosed
US-6670497-B2 Dialkyl (at least one of which is a C4-8 tertiary alkyl) ester of an alkyl- or halo-substituted phthalic acid; used in an olefin polymerization catalyst TOHO TITANIUM CO., LTD. (JP) 2003-12-30 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1188739-A1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO., LTD. (JP) 2002-03-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030036594-A1 Phthalic diester derivatives and electron donors HPD, ETFA, PPOX PRKCA 1200/4885PRKCD 552/4885ALDH1A1 725/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.